4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide

C19H23ClN2O4S — CID 160919527

IUPAC4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1NC[C@H]1[C@H](c2ccc(S(=O)(=O)NO)cc2)C1(C)C
InChIInChI=1S/C19H23ClN2O4S/c1-19(2)15(11-21-16-10-13(20)6-9-17(16)26-3)18(19)12-4-7-14(8-5-12)27(24,25)22-23/h4-10,15,18,21-23H,11H2,1-3H3/t15-,18-/m0/s1
InChIKeySRVPIZHBQNKZSO-YJBOKZPZSA-N
MW410.92 g/mol
LogP3.87
Rot. Bonds7

About 4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide

4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide (PubChem CID 160919527) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide
PubChem CID160919527
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1NC[C@H]1[C@H](c2ccc(S(=O)(=O)NO)cc2)C1(C)C
InChIInChI=1S/C19H23ClN2O4S/c1-19(2)15(11-21-16-10-13(20)6-9-17(16)26-3)18(19)12-4-7-14(8-5-12)27(24,25)22-23/h4-10,15,18,21-23H,11H2,1-3H3/t15-,18-/m0/s1
InChIKeySRVPIZHBQNKZSO-YJBOKZPZSA-N
XLogP3.87
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 129203726
N-[4-[3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]phenyl]methanesulfinamide
CID 123523170
S-[4-[3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]anilino]thiohydroxylamine
CID 137467426
4-[(1S,3S)-3-[(5-chloro-2-methoxyphenyl)carbamoyl]-2,2-dimethylcyclopropyl]benzenesulfonyl chloride
CID 160850173
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
4-[(1R,3R)-3-[(5-chloro-4-fluoro-2-methylanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 118182407
4-[(1R,3R)-3-[(2-butoxy-5-fluoroanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 163963741
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide?
The IUPAC name of 4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide (CID 160919527) is 4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide.
What is the SMILES notation for 4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide?
The canonical SMILES for 4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide is COc1ccc(Cl)cc1NC[C@H]1[C@H](c2ccc(S(=O)(=O)NO)cc2)C1(C)C.
What is the InChIKey of 4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide?
The InChIKey is SRVPIZHBQNKZSO-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-19(2)15(11-21-16-10-13(20)6-9-17(16)26-3)18(19)12-4-7-14(8-5-12)27(24,25)22-23/h4-10,15,18,21-23H,11H2,1-3H3/t15-,18-/m0/s1.
What are the key properties of 4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide?
4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide has a molecular weight of 410.92 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,3S)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]-N-hydroxybenzenesulfonamide is sourced from PubChem (CID 160919527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).