2-chloro-N-(2-propoxyphenyl)benzenesulfonamide

C15H16ClNO3S — CID 7938551

IUPAC2-chloro-N-(2-propoxyphenyl)benzenesulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO3S/c1-2-11-20-14-9-5-4-8-13(14)17-21(18,19)15-10-6-3-7-12(15)16/h3-10,17H,2,11H2,1H3
InChIKeyHUNSAXYSBBGVIO-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.93
Rot. Bonds6

About 2-chloro-N-(2-propoxyphenyl)benzenesulfonamide

2-chloro-N-(2-propoxyphenyl)benzenesulfonamide (PubChem CID 7938551) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-chloro-N-(2-propoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-propoxyphenyl)benzenesulfonamide
PubChem CID7938551
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name2-chloro-N-(2-propoxyphenyl)benzenesulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO3S/c1-2-11-20-14-9-5-4-8-13(14)17-21(18,19)15-10-6-3-7-12(15)16/h3-10,17H,2,11H2,1H3
InChIKeyHUNSAXYSBBGVIO-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenyl)sulfonylamino]-4-propoxybenzoic acid
CID 110504298
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
CID 25060735
5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61248809
4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096
3,4-dimethyl-5-[(2-propoxyphenyl)sulfamoyl]benzoic acid
CID 9238408
3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
CID 4828136
4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232
3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 30058477
5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 25353009
N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
CID 43123342
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-propoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-propoxyphenyl)benzenesulfonamide (CID 7938551) is 2-chloro-N-(2-propoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-propoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-propoxyphenyl)benzenesulfonamide is CCCOc1ccccc1NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-propoxyphenyl)benzenesulfonamide?
The InChIKey is HUNSAXYSBBGVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-2-11-20-14-9-5-4-8-13(14)17-21(18,19)15-10-6-3-7-12(15)16/h3-10,17H,2,11H2,1H3.
What are the key properties of 2-chloro-N-(2-propoxyphenyl)benzenesulfonamide?
2-chloro-N-(2-propoxyphenyl)benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-propoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 7938551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).