4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide

C14H14ClN3O3S — CID 70638313

IUPAC4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide
SMILESNNC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClN3O3S/c15-11-6-8-12(9-7-11)22(20,21)18-13(14(19)17-16)10-4-2-1-3-5-10/h1-9,13,18H,16H2,(H,17,19)/t13-/m0/s1
InChIKeyMWTVOHAVTOIBFA-ZDUSSCGKSA-N
MW339.80 g/mol
LogP1.35
Rot. Bonds5

About 4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide

4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide (PubChem CID 70638313) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide
PubChem CID70638313
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide
SMILESNNC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClN3O3S/c15-11-6-8-12(9-7-11)22(20,21)18-13(14(19)17-16)10-4-2-1-3-5-10/h1-9,13,18H,16H2,(H,17,19)/t13-/m0/s1
InChIKeyMWTVOHAVTOIBFA-ZDUSSCGKSA-N
XLogP1.35
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920
(2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide
CID 51961574
N-[(1R)-1-(4-chlorophenyl)-2-methylidene-3-oxobutyl]benzenesulfonamide
CID 102434392
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-phenylacetamide
CID 51291589
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554
(2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide
CID 51961571
4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 10471593
(2R)-2-[(3-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 51472168
methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
CID 3676370
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 41374254

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide (CID 70638313) is 4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide is NNC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide?
The InChIKey is MWTVOHAVTOIBFA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c15-11-6-8-12(9-7-11)22(20,21)18-13(14(19)17-16)10-4-2-1-3-5-10/h1-9,13,18H,16H2,(H,17,19)/t13-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide?
4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide has a molecular weight of 339.80 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 70638313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).