N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide

C25H31NO5S — CID 54575618

IUPACN-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C2CCCC2)cc1OC
InChIInChI=1S/C25H31NO5S/c1-25(2)14-13-19-15-18(9-11-22(19)31-25)17-26(20-7-5-6-8-20)32(27,28)21-10-12-23(29-3)24(16-21)30-4/h9-16,20H,5-8,17H2,1-4H3
InChIKeyQOIDRNFPRZOCJE-UHFFFAOYSA-N
MW457.59 g/mol
LogP5.02
Rot. Bonds7

About N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide

N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 54575618) has the molecular formula C25H31NO5S and a molecular weight of 457.59 g/mol. Its IUPAC name is N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID54575618
Molecular FormulaC25H31NO5S
Molecular Weight457.59 g/mol
Exact Mass457.19
IUPAC NameN-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C2CCCC2)cc1OC
InChIInChI=1S/C25H31NO5S/c1-25(2)14-13-19-15-18(9-11-22(19)31-25)17-26(20-7-5-6-8-20)32(27,28)21-10-12-23(29-3)24(16-21)30-4/h9-16,20H,5-8,17H2,1-4H3
InChIKeyQOIDRNFPRZOCJE-UHFFFAOYSA-N
XLogP5.02
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.59
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 16097752
CID 16097752
CID 54575620
CID 54575620
CID 54575623
CID 54575623
CID 54575686
CID 54575686
CID 56679261
CID 56679261
CID 4784184
CID 4784184
CID 6463917
CID 6463917
CID 8402637
CID 8402637
CID 137631958
CID 137631958
CID 137635390
CID 137635390
CID 137639067
CID 137639067
CID 846883
CID 846883

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide (CID 54575618) is N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)C2CCCC2)cc1OC.
What is the InChIKey of N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is QOIDRNFPRZOCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO5S/c1-25(2)14-13-19-15-18(9-11-22(19)31-25)17-26(20-7-5-6-8-20)32(27,28)21-10-12-23(29-3)24(16-21)30-4/h9-16,20H,5-8,17H2,1-4H3.
What are the key properties of N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide?
N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 457.59 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(2,2-dimethylchromen-6-yl)methyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 54575618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).