N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

C20H26N2O3S — CID 20945935

IUPACN-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)N(C)C1CCCCC1)CCCC3=O
InChIInChI=1S/C20H26N2O3S/c1-13-11-15-17(21-16-9-6-10-18(23)20(15)16)12-19(13)26(24,25)22(2)14-7-4-3-5-8-14/h11-12,14,21H,3-10H2,1-2H3
InChIKeyGVWDCFCXNLWCRL-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.95
Rot. Bonds3

About N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (PubChem CID 20945935) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
PubChem CID20945935
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)N(C)C1CCCCC1)CCCC3=O
InChIInChI=1S/C20H26N2O3S/c1-13-11-15-17(21-16-9-6-10-18(23)20(15)16)12-19(13)26(24,25)22(2)14-7-4-3-5-8-14/h11-12,14,21H,3-10H2,1-2H3
InChIKeyGVWDCFCXNLWCRL-UHFFFAOYSA-N
XLogP3.95
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The IUPAC name of N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (CID 20945935) is N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The canonical SMILES for N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is Cc1cc2c3c([nH]c2cc1S(=O)(=O)N(C)C1CCCCC1)CCCC3=O.
What is the InChIKey of N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The InChIKey is GVWDCFCXNLWCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-13-11-15-17(21-16-9-6-10-18(23)20(15)16)12-19(13)26(24,25)22(2)14-7-4-3-5-8-14/h11-12,14,21H,3-10H2,1-2H3.
What are the key properties of N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is sourced from PubChem (CID 20945935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).