2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide

C33H39ClN4O3S — CID 66701179

IUPAC2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)NC1c2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)ccc2CC1(C)C
InChIInChI=1S/C33H39ClN4O3S/c1-23-5-4-6-28(34)29(23)42(40,41)36-30-27-21-24(7-8-25(27)22-32(30,2)3)31(39)38-19-13-33(14-20-38)11-17-37(18-12-33)26-9-15-35-16-10-26/h4-10,15-16,21,30,36H,11-14,17-20,22H2,1-3H3
InChIKeyDSDSKOJHZVBCGF-UHFFFAOYSA-N
MW607.22 g/mol
LogP6.17
Rot. Bonds5

About 2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide

2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide (PubChem CID 66701179) has the molecular formula C33H39ClN4O3S and a molecular weight of 607.22 g/mol. Its IUPAC name is 2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide
PubChem CID66701179
Molecular FormulaC33H39ClN4O3S
Molecular Weight607.22 g/mol
Exact Mass606.24
IUPAC Name2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)NC1c2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)ccc2CC1(C)C
InChIInChI=1S/C33H39ClN4O3S/c1-23-5-4-6-28(34)29(23)42(40,41)36-30-27-21-24(7-8-25(27)22-32(30,2)3)31(39)38-19-13-33(14-20-38)11-17-37(18-12-33)26-9-15-35-16-10-26/h4-10,15-16,21,30,36H,11-14,17-20,22H2,1-3H3
InChIKeyDSDSKOJHZVBCGF-UHFFFAOYSA-N
XLogP6.17
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.22
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide with MolForge

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Related Compounds

2-chloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]-6-methylbenzenesulfonamide
CID 66700741
2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-4,5-difluorobenzamide
CID 66700774
4-fluoro-2,6-dimethyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 66700948
2,6-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzamide
CID 66700830
2,4-dichloro-N-[3,3-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,2-dihydroinden-1-yl]benzenesulfonamide
CID 67547088
2,4-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 66700665
2-(2-chlorophenyl)-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 66701189
2-chloro-N-[(1S)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 46936088
2,6-difluoro-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700687
2,5-dichloro-N-methyl-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700523
2-chloro-N-[(1R)-6-(7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 59505289
2-chloro-N-[(1R)-7-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 46936041

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide (CID 66701179) is 2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide is Cc1cccc(Cl)c1S(=O)(=O)NC1c2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)ccc2CC1(C)C.
What is the InChIKey of 2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide?
The InChIKey is DSDSKOJHZVBCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39ClN4O3S/c1-23-5-4-6-28(34)29(23)42(40,41)36-30-27-21-24(7-8-25(27)22-32(30,2)3)31(39)38-19-13-33(14-20-38)11-17-37(18-12-33)26-9-15-35-16-10-26/h4-10,15-16,21,30,36H,11-14,17-20,22H2,1-3H3.
What are the key properties of 2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide?
2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide has a molecular weight of 607.22 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,2-dimethyl-6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-1,3-dihydroinden-1-yl]-6-methylbenzenesulfonamide is sourced from PubChem (CID 66701179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).