2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide

C10H15ClN2O3S — CID 107213648

IUPAC2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C10H15ClN2O3S/c1-2-7(6-14)13-17(15,16)10-8(11)4-3-5-9(10)12/h3-5,7,13-14H,2,6,12H2,1H3/t7-/m0/s1
InChIKeyNBTLQAZNIFOOBZ-ZETCQYMHSA-N
MW278.76 g/mol
LogP0.97
Rot. Bonds5

About 2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide

2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 107213648) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID107213648
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C10H15ClN2O3S/c1-2-7(6-14)13-17(15,16)10-8(11)4-3-5-9(10)12/h3-5,7,13-14H,2,6,12H2,1H3/t7-/m0/s1
InChIKeyNBTLQAZNIFOOBZ-ZETCQYMHSA-N
XLogP0.97
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide 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-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081169
2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182602
2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106284162
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
5-amino-2-chloro-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 61112854
5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
CID 124680579
4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081162
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
6-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 65309956
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103460070

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 107213648) is 2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@@H](CO)NS(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is NBTLQAZNIFOOBZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-2-7(6-14)13-17(15,16)10-8(11)4-3-5-9(10)12/h3-5,7,13-14H,2,6,12H2,1H3/t7-/m0/s1.
What are the key properties of 2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 278.76 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 107213648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).