4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C13H14ClN3O2S2 — CID 106031911

IUPAC4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Cl)c(CNC2CC2)c1
InChIInChI=1S/C13H14ClN3O2S2/c14-12-4-3-11(7-9(12)8-16-10-1-2-10)21(18,19)17-13-15-5-6-20-13/h3-7,10,16H,1-2,8H2,(H,15,17)
InChIKeyGLTHBUBLWOZSPX-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.85
Rot. Bonds6

About 4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 106031911) has the molecular formula C13H14ClN3O2S2 and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID106031911
Molecular FormulaC13H14ClN3O2S2
Molecular Weight343.86 g/mol
Exact Mass343.02
IUPAC Name4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Cl)c(CNC2CC2)c1
InChIInChI=1S/C13H14ClN3O2S2/c14-12-4-3-11(7-9(12)8-16-10-1-2-10)21(18,19)17-13-15-5-6-20-13/h3-7,10,16H,1-2,8H2,(H,15,17)
InChIKeyGLTHBUBLWOZSPX-UHFFFAOYSA-N
XLogP2.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031796
3-chloro-4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031898
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
5-[(cyclopropylamino)methyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031635
4-chloro-3-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030109
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
2,4,5-trichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3577500
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
N'-[(3,4-dichlorophenyl)methylamino]-4-(1,3-thiazol-2-ylsulfamoyl)benzenecarboximidamide
CID 86611701
4-[3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159657641
1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 45007870

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 106031911) is 4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(Cl)c(CNC2CC2)c1.
What is the InChIKey of 4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is GLTHBUBLWOZSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S2/c14-12-4-3-11(7-9(12)8-16-10-1-2-10)21(18,19)17-13-15-5-6-20-13/h3-7,10,16H,1-2,8H2,(H,15,17).
What are the key properties of 4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 343.86 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106031911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).