N-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide

C16H14N2O2S3 — CID 175238772

IUPACN-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ncsc2CS)cc1)c1ccccc1
InChIInChI=1S/C16H14N2O2S3/c19-23(20,14-4-2-1-3-5-14)18-13-8-6-12(7-9-13)16-15(10-21)22-11-17-16/h1-9,11,18,21H,10H2
InChIKeyKYHJCZCFPQUAOY-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.04
Rot. Bonds5

About N-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide

N-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide (PubChem CID 175238772) has the molecular formula C16H14N2O2S3 and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
PubChem CID175238772
Molecular FormulaC16H14N2O2S3
Molecular Weight362.50 g/mol
Exact Mass362.02
IUPAC NameN-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ncsc2CS)cc1)c1ccccc1
InChIInChI=1S/C16H14N2O2S3/c19-23(20,14-4-2-1-3-5-14)18-13-8-6-12(7-9-13)16-15(10-21)22-11-17-16/h1-9,11,18,21H,10H2
InChIKeyKYHJCZCFPQUAOY-UHFFFAOYSA-N
XLogP4.04
TPSA59.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]anilino]methanesulfinic acid
CID 174448923
2-fluoroethanamine;N-phenylbenzenesulfonamide
CID 175323476
4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide
CID 71855327
N-[4-(1-benzothiophen-3-yl)phenyl]benzenesulfonamide
CID 54515883
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
N,3-diphenylbenzenesulfonamide
CID 54513984
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide
CID 172686672

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide (CID 175238772) is N-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ncsc2CS)cc1)c1ccccc1.
What is the InChIKey of N-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The InChIKey is KYHJCZCFPQUAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S3/c19-23(20,14-4-2-1-3-5-14)18-13-8-6-12(7-9-13)16-15(10-21)22-11-17-16/h1-9,11,18,21H,10H2.
What are the key properties of N-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
N-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(sulfanylmethyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 175238772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).