3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide

C15H24ClNO2S — CID 79585956

IUPAC3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide
SMILESCCCCCc1ccc(NS(=O)(=O)CC(C)CCl)cc1
InChIInChI=1S/C15H24ClNO2S/c1-3-4-5-6-14-7-9-15(10-8-14)17-20(18,19)12-13(2)11-16/h7-10,13,17H,3-6,11-12H2,1-2H3
InChIKeyQZGCPNCMACEFTF-UHFFFAOYSA-N
MW317.88 g/mol
LogP4.04
Rot. Bonds9

About 3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide

3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide (PubChem CID 79585956) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide
PubChem CID79585956
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC Name3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide
SMILESCCCCCc1ccc(NS(=O)(=O)CC(C)CCl)cc1
InChIInChI=1S/C15H24ClNO2S/c1-3-4-5-6-14-7-9-15(10-8-14)17-20(18,19)12-13(2)11-16/h7-10,13,17H,3-6,11-12H2,1-2H3
InChIKeyQZGCPNCMACEFTF-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
CID 61250073
3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 79585905
3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585459
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide
CID 79556556
3-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]propane-1-sulfonamide
CID 79580115
N-[4-(chloromethyl)phenyl]-2-methylpropane-1-sulfonamide
CID 65031169
2-amino-N-(4-butylphenyl)ethanesulfonamide
CID 43378477
3-chloro-2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]propane-1-sulfonamide
CID 79585858
N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide
CID 24850159
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide
CID 79585540
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide
CID 79586204

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide (CID 79585956) is 3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide is CCCCCc1ccc(NS(=O)(=O)CC(C)CCl)cc1.
What is the InChIKey of 3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide?
The InChIKey is QZGCPNCMACEFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2S/c1-3-4-5-6-14-7-9-15(10-8-14)17-20(18,19)12-13(2)11-16/h7-10,13,17H,3-6,11-12H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide?
3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide has a molecular weight of 317.88 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 79585956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).