4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide

C13H15ClN2O2S2 — CID 43745768

IUPAC4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide
SMILESCCC(Nc1cc(S(N)(=O)=O)ccc1Cl)c1cccs1
InChIInChI=1S/C13H15ClN2O2S2/c1-2-11(13-4-3-7-19-13)16-12-8-9(20(15,17)18)5-6-10(12)14/h3-8,11,16H,2H2,1H3,(H2,15,17,18)
InChIKeyAQIQTFXVCCMOSS-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.61
Rot. Bonds5

About 4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide

4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide (PubChem CID 43745768) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide
PubChem CID43745768
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide
SMILESCCC(Nc1cc(S(N)(=O)=O)ccc1Cl)c1cccs1
InChIInChI=1S/C13H15ClN2O2S2/c1-2-11(13-4-3-7-19-13)16-12-8-9(20(15,17)18)5-6-10(12)14/h3-8,11,16H,2H2,1H3,(H2,15,17,18)
InChIKeyAQIQTFXVCCMOSS-UHFFFAOYSA-N
XLogP3.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
CID 81264228
N-(2-chloro-5-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61132271
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43104270
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365
4-chloro-3-nitro-N-(1-thiophen-2-ylpropyl)aniline
CID 43719388
5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 103286878
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003
2-(2-chloro-5-sulfamoylanilino)propanoic acid
CID 66174535
3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
CID 43745716
4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 113489821
3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 82988987

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide?
The IUPAC name of 4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide (CID 43745768) is 4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide is CCC(Nc1cc(S(N)(=O)=O)ccc1Cl)c1cccs1.
What is the InChIKey of 4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide?
The InChIKey is AQIQTFXVCCMOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-2-11(13-4-3-7-19-13)16-12-8-9(20(15,17)18)5-6-10(12)14/h3-8,11,16H,2H2,1H3,(H2,15,17,18).
What are the key properties of 4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide?
4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide has a molecular weight of 330.86 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide is sourced from PubChem (CID 43745768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).