N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide

C17H21ClN2O3S — CID 70939150

IUPACN-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide
SMILESCOc1ccc(Cl)cc1NCc1ccc(NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C17H21ClN2O3S/c1-12(2)24(21,22)20-15-7-4-13(5-8-15)11-19-16-10-14(18)6-9-17(16)23-3/h4-10,12,19-20H,11H2,1-3H3
InChIKeyTTZBJOUOUDUZEW-UHFFFAOYSA-N
MW368.89 g/mol
LogP4.11
Rot. Bonds7

About N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide

N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide (PubChem CID 70939150) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide
PubChem CID70939150
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC NameN-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide
SMILESCOc1ccc(Cl)cc1NCc1ccc(NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C17H21ClN2O3S/c1-12(2)24(21,22)20-15-7-4-13(5-8-15)11-19-16-10-14(18)6-9-17(16)23-3/h4-10,12,19-20H,11H2,1-3H3
InChIKeyTTZBJOUOUDUZEW-UHFFFAOYSA-N
XLogP4.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
4-[(5-chloro-2-methoxyanilino)methyl]benzoic acid
CID 39398714
N-[4-[(3,4-difluoroanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939016
N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939276
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline
CID 83235721
N-[(4-aminophenyl)methyl]-5-chloro-2-methoxyaniline;N-[(4-aminophenyl)methyl]-2,4-dichloroaniline;N-[(4-aminophenyl)methyl]-3,4-dimethoxyaniline;N-[4-[(3,4-dichloroanilino)methyl]phenyl]propane-2-sulfonamide;4-[[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]anilino]methyl]aniline;N-[4-[(3-fluoro-4-methoxyanilino)methyl]phenyl]propane-2-sulfonamide;tetrakis(propane-2-sulfinate)
CID 161078904
5-chloro-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756549
N-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939476
N-(5-chloro-2-methoxyphenyl)sulfamoyl chloride
CID 84760623
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 28543653
N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide
CID 62997998

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide (CID 70939150) is N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide is COc1ccc(Cl)cc1NCc1ccc(NS(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide?
The InChIKey is TTZBJOUOUDUZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-12(2)24(21,22)20-15-7-4-13(5-8-15)11-19-16-10-14(18)6-9-17(16)23-3/h4-10,12,19-20H,11H2,1-3H3.
What are the key properties of N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide?
N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide has a molecular weight of 368.89 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 70939150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).