4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C10H10ClN3O3S — CID 162345507

IUPAC4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NCl)cc2)no1
InChIInChI=1S/C10H10ClN3O3S/c1-7-6-10(13-17-7)14-18(15,16)9-4-2-8(12-11)3-5-9/h2-6,12H,1H3,(H,13,14)
InChIKeySQAWOFXEZGBMJS-UHFFFAOYSA-N
MW287.73 g/mol
LogP2.35
Rot. Bonds4

About 4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 162345507) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is 4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID162345507
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC Name4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NCl)cc2)no1
InChIInChI=1S/C10H10ClN3O3S/c1-7-6-10(13-17-7)14-18(15,16)9-4-2-8(12-11)3-5-9/h2-6,12H,1H3,(H,13,14)
InChIKeySQAWOFXEZGBMJS-UHFFFAOYSA-N
XLogP2.35
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
CID 57350054
CID 57350054
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
4-(2-bromoethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 153356564
2,2-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 503706
2,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 11271175
3-chloro-2-methyl-N-[4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]benzenesulfonamide
CID 11376844
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide
CID 113037737

Frequently Asked Questions

What is the IUPAC name of 4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 162345507) is 4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(NCl)cc2)no1.
What is the InChIKey of 4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is SQAWOFXEZGBMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c1-7-6-10(13-17-7)14-18(15,16)9-4-2-8(12-11)3-5-9/h2-6,12H,1H3,(H,13,14).
What are the key properties of 4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 287.73 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 162345507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).