4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C12H16ClF3N2O2S — CID 61104925

IUPAC4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H16ClF3N2O2S/c1-2-3-6-18(8-12(14,15)16)21(19,20)11-5-4-9(17)7-10(11)13/h4-5,7H,2-3,6,8,17H2,1H3
InChIKeyUVYZRVLSEGDNSY-UHFFFAOYSA-N
MW344.79 g/mol
LogP3.28
Rot. Bonds6

About 4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61104925) has the molecular formula C12H16ClF3N2O2S and a molecular weight of 344.79 g/mol. Its IUPAC name is 4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61104925
Molecular FormulaC12H16ClF3N2O2S
Molecular Weight344.79 g/mol
Exact Mass344.06
IUPAC Name4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H16ClF3N2O2S/c1-2-3-6-18(8-12(14,15)16)21(19,20)11-5-4-9(17)7-10(11)13/h4-5,7H,2-3,6,8,17H2,1H3
InChIKeyUVYZRVLSEGDNSY-UHFFFAOYSA-N
XLogP3.28
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 2384826
Benzenesulfonamide, 4-amino-3-chloro-N,N-dimethyl-
CID 205923
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CID 12533522
5-amino-2-chloro-N,N-dimethylbenzene-1-sulfonamide
CID 3613938
5-amino-2-chloro-N,N-diethylbenzene-1-sulfonamide
CID 3779308
Benzenesulfonamide, 4-amino-2,5-dichloro-N,N-dimethyl-
CID 117747
4-amino-N-(3-chloro-4-fluorophenyl)benzene-1-sulfonamide
CID 28938084
4-amino-N-(4-chlorophenyl)-N-propylbenzenesulfonamide
CID 44422748
4-amino-2-chloro-N-ethylbenzene-1-sulfonamide
CID 29043473
4-amino-2-chloro-N-methylbenzene-1-sulfonamide
CID 29790775
3-Chloro-4-(trifluoromethylsulfonyl)aniline
CID 21178314
4-amino-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
CID 43122868

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61104925) is 4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is UVYZRVLSEGDNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2O2S/c1-2-3-6-18(8-12(14,15)16)21(19,20)11-5-4-9(17)7-10(11)13/h4-5,7H,2-3,6,8,17H2,1H3.
What are the key properties of 4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 344.79 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61104925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).