4-amino-N-tert-butyl-2-chlorobenzenesulfonamide

C10H15ClN2O2S — CID 28521025

IUPAC4-amino-N-tert-butyl-2-chlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-10(2,3)13-16(14,15)9-5-4-7(12)6-8(9)11/h4-6,13H,12H2,1-3H3
InChIKeyNMBWGQCWWDGDFZ-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.00
Rot. Bonds2

About 4-amino-N-tert-butyl-2-chlorobenzenesulfonamide

4-amino-N-tert-butyl-2-chlorobenzenesulfonamide (PubChem CID 28521025) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-2-chlorobenzenesulfonamide
PubChem CID28521025
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name4-amino-N-tert-butyl-2-chlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-10(2,3)13-16(14,15)9-5-4-7(12)6-8(9)11/h4-6,13H,12H2,1-3H3
InChIKeyNMBWGQCWWDGDFZ-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Amino-6-chloro-1,3-benzenedisulfonamide
CID 67136
4-Amino-3-chlorobenzenesulfonamide
CID 1502014
4-amino-N-(4-chlorophenyl)benzenesulfonamide
CID 788021
N-(2-Chlorophenyl)benzenesulfonamide
CID 252039
5-Amino-2-chloro-N-(3-chloro-phenyl)-benzenesulfonamide
CID 3724108
N-(3-chlorophenyl)methanesulfonamide
CID 849123
N-(4-Chlorophenyl)benzenesulfonamide
CID 20865
4-Amino-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 221212
5-Amino-2-chloro-N-(4-chloro-phenyl)-benzenesulfonamide
CID 3434495
4-amino-N-(3-chlorophenyl)benzene-1-sulfonamide
CID 2357660
3-Chloro-4-methanesulfonylaniline
CID 10845921
2-Amino-4-chlorobenzenesulphonamide
CID 77790

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-2-chlorobenzenesulfonamide?
The IUPAC name of 4-amino-N-tert-butyl-2-chlorobenzenesulfonamide (CID 28521025) is 4-amino-N-tert-butyl-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-tert-butyl-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-tert-butyl-2-chlorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-N-tert-butyl-2-chlorobenzenesulfonamide?
The InChIKey is NMBWGQCWWDGDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-10(2,3)13-16(14,15)9-5-4-7(12)6-8(9)11/h4-6,13H,12H2,1-3H3.
What are the key properties of 4-amino-N-tert-butyl-2-chlorobenzenesulfonamide?
4-amino-N-tert-butyl-2-chlorobenzenesulfonamide has a molecular weight of 262.76 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-2-chlorobenzenesulfonamide is sourced from PubChem (CID 28521025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).