2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide

C29H31ClN4O3S — CID 59505724

IUPAC2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
SMILESO=C(c1cccc2c1CC[C@H]2NS(=O)(=O)c1ccccc1Cl)N1CCC2(CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C29H31ClN4O3S/c30-25-6-1-2-7-27(25)38(36,37)32-26-9-8-22-23(26)4-3-5-24(22)28(35)34-19-14-29(20-34)12-17-33(18-13-29)21-10-15-31-16-11-21/h1-7,10-11,15-16,26,32H,8-9,12-14,17-20H2/t26-/m1/s1
InChIKeyMJCIFHOSGKDTTG-AREMUKBSSA-N
MW551.11 g/mol
LogP4.83
Rot. Bonds5

About 2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide

2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide (PubChem CID 59505724) has the molecular formula C29H31ClN4O3S and a molecular weight of 551.11 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
PubChem CID59505724
Molecular FormulaC29H31ClN4O3S
Molecular Weight551.11 g/mol
Exact Mass550.18
IUPAC Name2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
SMILESO=C(c1cccc2c1CC[C@H]2NS(=O)(=O)c1ccccc1Cl)N1CCC2(CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C29H31ClN4O3S/c30-25-6-1-2-7-27(25)38(36,37)32-26-9-8-22-23(26)4-3-5-24(22)28(35)34-19-14-29(20-34)12-17-33(18-13-29)21-10-15-31-16-11-21/h1-7,10-11,15-16,26,32H,8-9,12-14,17-20H2/t26-/m1/s1
InChIKeyMJCIFHOSGKDTTG-AREMUKBSSA-N
XLogP4.83
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.11
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide (CID 59505724) is 2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide is O=C(c1cccc2c1CC[C@H]2NS(=O)(=O)c1ccccc1Cl)N1CCC2(CCN(c3ccncc3)CC2)C1.
What is the InChIKey of 2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The InChIKey is MJCIFHOSGKDTTG-AREMUKBSSA-N. The full InChI is InChI=1S/C29H31ClN4O3S/c30-25-6-1-2-7-27(25)38(36,37)32-26-9-8-22-23(26)4-3-5-24(22)28(35)34-19-14-29(20-34)12-17-33(18-13-29)21-10-15-31-16-11-21/h1-7,10-11,15-16,26,32H,8-9,12-14,17-20H2/t26-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide has a molecular weight of 551.11 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide is sourced from PubChem (CID 59505724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).