3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide

C10H15ClN2O3S — CID 53409667

IUPAC3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C10H15ClN2O3S/c1-7(14)4-5-13-17(15,16)8-2-3-9(11)10(12)6-8/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyWNSOFDSFPYHWRC-UHFFFAOYSA-N
MW278.76 g/mol
LogP0.97
Rot. Bonds5

About 3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide

3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide (PubChem CID 53409667) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide
PubChem CID53409667
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C10H15ClN2O3S/c1-7(14)4-5-13-17(15,16)8-2-3-9(11)10(12)6-8/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyWNSOFDSFPYHWRC-UHFFFAOYSA-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'}

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Related Compounds

3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
3-amino-4-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115324593
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 114145999
4-chloro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 113098372
3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405354
3-amino-4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924809
N-(3-hydroxybutyl)-4-methyl-3-nitrobenzenesulfonamide
CID 64910826
3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912288
3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274921

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide (CID 53409667) is 3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide is CC(O)CCNS(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide?
The InChIKey is WNSOFDSFPYHWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-7(14)4-5-13-17(15,16)8-2-3-9(11)10(12)6-8/h2-3,6-7,13-14H,4-5,12H2,1H3.
What are the key properties of 3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide?
3-amino-4-chloro-N-(3-hydroxybutyl)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 3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 53409667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).