N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide

C15H16ClNO3S — CID 65031277

IUPACN-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CCl)c2ccccc2)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-13-7-9-14(10-8-13)21(18,19)17-15(11-16)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3
InChIKeyFCBOECAJXZWPRK-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.95
Rot. Bonds6

About N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide

N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide (PubChem CID 65031277) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
PubChem CID65031277
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CCl)c2ccccc2)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-13-7-9-14(10-8-13)21(18,19)17-15(11-16)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3
InChIKeyFCBOECAJXZWPRK-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide
CID 54774542
N-[(1S)-1,4-diphenylbut-3-ynyl]-4-methoxybenzenesulfonamide
CID 134879610
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate
CID 139616851
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
CID 43904422
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
N-(1-chlorobutan-2-yl)-4-methoxybenzenesulfonamide
CID 65033930
N-(2-chloro-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 45101977

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide (CID 65031277) is N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(CCl)c2ccccc2)cc1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide?
The InChIKey is FCBOECAJXZWPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-20-13-7-9-14(10-8-13)21(18,19)17-15(11-16)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3.
What are the key properties of N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide?
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 65031277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).