4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide

C13H16ClN3O2S2 — CID 63751444

IUPAC4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
SMILESCc1nc(C)c(C(C)Nc2cc(S(N)(=O)=O)ccc2Cl)s1
InChIInChI=1S/C13H16ClN3O2S2/c1-7-13(20-9(3)16-7)8(2)17-12-6-10(21(15,18)19)4-5-11(12)14/h4-6,8,17H,1-3H3,(H2,15,18,19)
InChIKeyNTCRTQSYSIWZSD-UHFFFAOYSA-N
MW345.88 g/mol
LogP3.23
Rot. Bonds4

About 4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide

4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide (PubChem CID 63751444) has the molecular formula C13H16ClN3O2S2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
PubChem CID63751444
Molecular FormulaC13H16ClN3O2S2
Molecular Weight345.88 g/mol
Exact Mass345.04
IUPAC Name4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
SMILESCc1nc(C)c(C(C)Nc2cc(S(N)(=O)=O)ccc2Cl)s1
InChIInChI=1S/C13H16ClN3O2S2/c1-7-13(20-9(3)16-7)8(2)17-12-6-10(21(15,18)19)4-5-11(12)14/h4-6,8,17H,1-3H3,(H2,15,18,19)
InChIKeyNTCRTQSYSIWZSD-UHFFFAOYSA-N
XLogP3.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide (CID 63751444) is 4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide is Cc1nc(C)c(C(C)Nc2cc(S(N)(=O)=O)ccc2Cl)s1.
What is the InChIKey of 4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide?
The InChIKey is NTCRTQSYSIWZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S2/c1-7-13(20-9(3)16-7)8(2)17-12-6-10(21(15,18)19)4-5-11(12)14/h4-6,8,17H,1-3H3,(H2,15,18,19).
What are the key properties of 4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide?
4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide has a molecular weight of 345.88 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 63751444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).