4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide

C14H12ClN5O2S2 — CID 168579634

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C14H12ClN5O2S2/c15-13-19-9-11(23-13)8-18-10-2-4-12(5-3-10)24(21,22)20-14-16-6-1-7-17-14/h1-7,9,18H,8H2,(H,16,17,20)
InChIKeyBUIBIRKDVWNBKF-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.00
Rot. Bonds6

About 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide

4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 168579634) has the molecular formula C14H12ClN5O2S2 and a molecular weight of 381.87 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID168579634
Molecular FormulaC14H12ClN5O2S2
Molecular Weight381.87 g/mol
Exact Mass381.01
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C14H12ClN5O2S2/c15-13-19-9-11(23-13)8-18-10-2-4-12(5-3-10)24(21,22)20-14-16-6-1-7-17-14/h1-7,9,18H,8H2,(H,16,17,20)
InChIKeyBUIBIRKDVWNBKF-UHFFFAOYSA-N
XLogP3.00
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 75434080
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
CID 168579595
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 168579937
N-(1-adamantyl)-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 168581558
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 168583916
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 168583262
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
N-benzyl-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-methylbenzenesulfonamide
CID 168582182
[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]boronic acid
CID 168583966
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 168579564
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
CID 168580395
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2-phenoxyethoxy)aniline
CID 168583829

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide (CID 168579634) is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ncccn1)c1ccc(NCc2cnc(Cl)s2)cc1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is BUIBIRKDVWNBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2S2/c15-13-19-9-11(23-13)8-18-10-2-4-12(5-3-10)24(21,22)20-14-16-6-1-7-17-14/h1-7,9,18H,8H2,(H,16,17,20).
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide?
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 381.87 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 168579634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).