3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide

C13H14ClN3O2S2 — CID 106053656

IUPAC3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)ccc1Cl
InChIInChI=1S/C13H14ClN3O2S2/c14-11-4-3-10(5-9(11)6-15)21(18,19)17-13-16-12(7-20-13)8-1-2-8/h3-5,7-8H,1-2,6,15H2,(H,16,17)
InChIKeyLLQUZBHITJIZCO-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.93
Rot. Bonds5

About 3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide

3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 106053656) has the molecular formula C13H14ClN3O2S2 and a molecular weight of 343.86 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID106053656
Molecular FormulaC13H14ClN3O2S2
Molecular Weight343.86 g/mol
Exact Mass343.02
IUPAC Name3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)ccc1Cl
InChIInChI=1S/C13H14ClN3O2S2/c14-11-4-3-10(5-9(11)6-15)21(18,19)17-13-16-12(7-20-13)8-1-2-8/h3-5,7-8H,1-2,6,15H2,(H,16,17)
InChIKeyLLQUZBHITJIZCO-UHFFFAOYSA-N
XLogP2.93
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 1069057
4-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 3333374
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 76333047
5-(2-Amino-1,3-Thiazol-4-Yl)-2-Chlorobenzene-1-Sulfonamide
CID 124222720
Benzenesulfonamide, 4-chloro-N-[4-(4-fluorophenyl)-2-thiazolyl]-
CID 3544134
4-chloro-N-(4-(2,4-difluorophenyl)thiazol-2-yl)benzenesulfonamide
CID 4385135
3-Chloro-N-(4-phenyl-2-thiazolyl)benzenesulfonamide
CID 3132916
3-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzene-1-sulfonamide
CID 25335287
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 76314915
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methylbenzenesulfonamide
CID 76329397
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 76333043
2-[(2-Chlorophenyl)methylamino]-4-methyl-1,3-thiazole-5-sulfonamide
CID 121554199

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 106053656) is 3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide is NCc1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)ccc1Cl.
What is the InChIKey of 3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LLQUZBHITJIZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S2/c14-11-4-3-10(5-9(11)6-15)21(18,19)17-13-16-12(7-20-13)8-1-2-8/h3-5,7-8H,1-2,6,15H2,(H,16,17).
What are the key properties of 3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide?
3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 343.86 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106053656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).