4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide

C24H28ClNO2S — CID 15020275

IUPAC4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide
SMILESCC(C)c1ccc2ccc(CC[C@H](C)CNS(=O)(=O)c3ccc(Cl)cc3)c-2cc1
InChIInChI=1S/C24H28ClNO2S/c1-17(2)19-6-7-21-9-8-20(24(21)15-10-19)5-4-18(3)16-26-29(27,28)23-13-11-22(25)12-14-23/h6-15,17-18,26H,4-5,16H2,1-3H3/t18-/m0/s1
InChIKeyVPHLROAWNDUWFW-SFHVURJKSA-N
MW430.01 g/mol
LogP6.12
Rot. Bonds8

About 4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide

4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide (PubChem CID 15020275) has the molecular formula C24H28ClNO2S and a molecular weight of 430.01 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide
PubChem CID15020275
Molecular FormulaC24H28ClNO2S
Molecular Weight430.01 g/mol
Exact Mass429.15
IUPAC Name4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide
SMILESCC(C)c1ccc2ccc(CC[C@H](C)CNS(=O)(=O)c3ccc(Cl)cc3)c-2cc1
InChIInChI=1S/C24H28ClNO2S/c1-17(2)19-6-7-21-9-8-20(24(21)15-10-19)5-4-18(3)16-26-29(27,28)23-13-11-22(25)12-14-23/h6-15,17-18,26H,4-5,16H2,1-3H3/t18-/m0/s1
InChIKeyVPHLROAWNDUWFW-SFHVURJKSA-N
XLogP6.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.01
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide with MolForge

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Related Compounds

methyl 3-[(3S)-4-[(4-chlorophenyl)sulfonylamino]-3-methylbutyl]-6-propan-2-ylazulene-1-carboxylate
CID 15020264
N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide
CID 66092322
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 45003216
N-(4-chloro-2-methylbutyl)-4-fluorobenzenesulfonamide
CID 66092046
methyl 3-[5-[(4-chlorophenyl)sulfonylamino]pentan-2-yl]-6-propan-2-ylazulene-1-carboxylate
CID 67895171
N-(4-amino-2-methylbutyl)benzenesulfonamide
CID 66091403
N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
CID 134843251
N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 51356051
N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide
CID 51356515
4-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403691
N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide
CID 69331280
N-[2-(4-tert-butylphenyl)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 163217185

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide (CID 15020275) is 4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide is CC(C)c1ccc2ccc(CC[C@H](C)CNS(=O)(=O)c3ccc(Cl)cc3)c-2cc1.
What is the InChIKey of 4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide?
The InChIKey is VPHLROAWNDUWFW-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28ClNO2S/c1-17(2)19-6-7-21-9-8-20(24(21)15-10-19)5-4-18(3)16-26-29(27,28)23-13-11-22(25)12-14-23/h6-15,17-18,26H,4-5,16H2,1-3H3/t18-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide?
4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide has a molecular weight of 430.01 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-2-methyl-4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 15020275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).