1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide

C24H22N2O3S — CID 2317892

IUPAC1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3(S(=O)(=O)c4ccccc4)CC3)ccc21
InChIInChI=1S/C24H22N2O3S/c1-2-26-21-11-7-6-10-19(21)20-16-17(12-13-22(20)26)25-23(27)24(14-15-24)30(28,29)18-8-4-3-5-9-18/h3-13,16H,2,14-15H2,1H3,(H,25,27)
InChIKeyYHKPMVCCUDABBU-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.76
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide

1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 2317892) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide
PubChem CID2317892
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3(S(=O)(=O)c4ccccc4)CC3)ccc21
InChIInChI=1S/C24H22N2O3S/c1-2-26-21-11-7-6-10-19(21)20-16-17(12-13-22(20)26)25-23(27)24(14-15-24)30(28,29)18-8-4-3-5-9-18/h3-13,16H,2,14-15H2,1H3,(H,25,27)
InChIKeyYHKPMVCCUDABBU-UHFFFAOYSA-N
XLogP4.76
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide (CID 2317892) is 1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide is CCn1c2ccccc2c2cc(NC(=O)C3(S(=O)(=O)c4ccccc4)CC3)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is YHKPMVCCUDABBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-2-26-21-11-7-6-10-19(21)20-16-17(12-13-22(20)26)25-23(27)24(14-15-24)30(28,29)18-8-4-3-5-9-18/h3-13,16H,2,14-15H2,1H3,(H,25,27).
What are the key properties of 1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide?
1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(9-ethylcarbazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 2317892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).