2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide

C9H9ClN4O2S2 — CID 61284804

IUPAC2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cnc(Cl)nc2)cs1
InChIInChI=1S/C9H9ClN4O2S2/c1-6-14-7(5-17-6)2-13-18(15,16)8-3-11-9(10)12-4-8/h3-5,13H,2H2,1H3
InChIKeyLYWPERDKVYWAGB-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.37
Rot. Bonds4

About 2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide

2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide (PubChem CID 61284804) has the molecular formula C9H9ClN4O2S2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
PubChem CID61284804
Molecular FormulaC9H9ClN4O2S2
Molecular Weight304.78 g/mol
Exact Mass303.99
IUPAC Name2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cnc(Cl)nc2)cs1
InChIInChI=1S/C9H9ClN4O2S2/c1-6-14-7(5-17-6)2-13-18(15,16)8-3-11-9(10)12-4-8/h3-5,13H,2H2,1H3
InChIKeyLYWPERDKVYWAGB-UHFFFAOYSA-N
XLogP1.37
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide
CID 62157737
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
2,4,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3238536
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110717446
4-(bromomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 65481025
4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3245366
5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 110301352
2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid
CID 61280702
5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61282417
2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 61066738
ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
CID 47044569

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide (CID 61284804) is 2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide is Cc1nc(CNS(=O)(=O)c2cnc(Cl)nc2)cs1.
What is the InChIKey of 2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide?
The InChIKey is LYWPERDKVYWAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S2/c1-6-14-7(5-17-6)2-13-18(15,16)8-3-11-9(10)12-4-8/h3-5,13H,2H2,1H3.
What are the key properties of 2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide?
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide has a molecular weight of 304.78 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 61284804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).