N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide

C17H21ClN2O3S — CID 112989746

IUPACN-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cc(C)c(Cl)cc2OC)cc1
InChIInChI=1S/C17H21ClN2O3S/c1-4-9-24(21,22)20-14-7-5-13(6-8-14)19-16-10-12(2)15(18)11-17(16)23-3/h5-8,10-11,19-20H,4,9H2,1-3H3
InChIKeyKVIMBCWMUQXSDB-UHFFFAOYSA-N
MW368.89 g/mol
LogP4.55
Rot. Bonds7

About N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide

N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide (PubChem CID 112989746) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide
PubChem CID112989746
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC NameN-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cc(C)c(Cl)cc2OC)cc1
InChIInChI=1S/C17H21ClN2O3S/c1-4-9-24(21,22)20-14-7-5-13(6-8-14)19-16-10-12(2)15(18)11-17(16)23-3/h5-8,10-11,19-20H,4,9H2,1-3H3
InChIKeyKVIMBCWMUQXSDB-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
CID 112987095
N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
CID 110776836
N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide
CID 112987904
N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide
CID 112987760
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide
CID 106056915
N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide
CID 112987192
N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide
CID 112989699
N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide
CID 110670204
N-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide
CID 112986671
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide (CID 112989746) is N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2cc(C)c(Cl)cc2OC)cc1.
What is the InChIKey of N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide?
The InChIKey is KVIMBCWMUQXSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-4-9-24(21,22)20-14-7-5-13(6-8-14)19-16-10-12(2)15(18)11-17(16)23-3/h5-8,10-11,19-20H,4,9H2,1-3H3.
What are the key properties of N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide?
N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide has a molecular weight of 368.89 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112989746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).