4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide

C12H19ClN2O3S — CID 61111272

IUPAC4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-2-3-6-15(7-8-16)19(17,18)12-5-4-10(14)9-11(12)13/h4-5,9,16H,2-3,6-8,14H2,1H3
InChIKeyBZGJCNNYHQDPCD-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.71
Rot. Bonds7

About 4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide

4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61111272) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID61111272
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-2-3-6-15(7-8-16)19(17,18)12-5-4-10(14)9-11(12)13/h4-5,9,16H,2-3,6-8,14H2,1H3
InChIKeyBZGJCNNYHQDPCD-UHFFFAOYSA-N
XLogP1.71
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139448
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
4-amino-2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 102931046
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806
5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140112
5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide
CID 64850898
4-amino-2-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61138325
4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63696287
4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269143
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 106546170
2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111458
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587561

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide (CID 61111272) is 4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide is CCCCN(CCO)S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is BZGJCNNYHQDPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-2-3-6-15(7-8-16)19(17,18)12-5-4-10(14)9-11(12)13/h4-5,9,16H,2-3,6-8,14H2,1H3.
What are the key properties of 4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide?
4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 306.81 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61111272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).