3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide

C20H15ClN4O2S2 — CID 110504097

IUPAC3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN4O2S2/c21-15-2-1-3-18(12-15)29(26,27)25-17-6-4-16(5-7-17)23-20-24-19(13-28-20)14-8-10-22-11-9-14/h1-13,25H,(H,23,24)
InChIKeyMRIYYWHKFJPMKO-UHFFFAOYSA-N
MW442.95 g/mol
LogP5.40
Rot. Bonds6

About 3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide

3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide (PubChem CID 110504097) has the molecular formula C20H15ClN4O2S2 and a molecular weight of 442.95 g/mol. Its IUPAC name is 3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
PubChem CID110504097
Molecular FormulaC20H15ClN4O2S2
Molecular Weight442.95 g/mol
Exact Mass442.03
IUPAC Name3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN4O2S2/c21-15-2-1-3-18(12-15)29(26,27)25-17-6-4-16(5-7-17)23-20-24-19(13-28-20)14-8-10-22-11-9-14/h1-13,25H,(H,23,24)
InChIKeyMRIYYWHKFJPMKO-UHFFFAOYSA-N
XLogP5.40
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
CID 110504080
N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 155312775
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 110504077
4-(3-chlorophenyl)-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 53338312
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
4-(benzenesulfonamido)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 121043565
N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 2214320
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide (CID 110504097) is 3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is MRIYYWHKFJPMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S2/c21-15-2-1-3-18(12-15)29(26,27)25-17-6-4-16(5-7-17)23-20-24-19(13-28-20)14-8-10-22-11-9-14/h1-13,25H,(H,23,24).
What are the key properties of 3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide?
3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 442.95 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 110504097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).