N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

C17H20N2O3S — CID 20946163

IUPACN-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)NC1CC1)CCCC3=O
InChIInChI=1S/C17H20N2O3S/c1-2-10-8-12-14(18-13-4-3-5-15(20)17(12)13)9-16(10)23(21,22)19-11-6-7-11/h8-9,11,18-19H,2-7H2,1H3
InChIKeyVUKZRUYWMVRCER-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.69
Rot. Bonds4

About N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (PubChem CID 20946163) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
PubChem CID20946163
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)NC1CC1)CCCC3=O
InChIInChI=1S/C17H20N2O3S/c1-2-10-8-12-14(18-13-4-3-5-15(20)17(12)13)9-16(10)23(21,22)19-11-6-7-11/h8-9,11,18-19H,2-7H2,1H3
InChIKeyVUKZRUYWMVRCER-UHFFFAOYSA-N
XLogP2.69
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The IUPAC name of N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (CID 20946163) is N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is CCc1cc2c3c([nH]c2cc1S(=O)(=O)NC1CC1)CCCC3=O.
What is the InChIKey of N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The InChIKey is VUKZRUYWMVRCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-10-8-12-14(18-13-4-3-5-15(20)17(12)13)9-16(10)23(21,22)19-11-6-7-11/h8-9,11,18-19H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is sourced from PubChem (CID 20946163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).