3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide

C14H11ClN2O4S — CID 110786829

IUPAC3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
SMILESO=c1[nH]c2cc(CNS(=O)(=O)c3cccc(Cl)c3)ccc2o1
InChIInChI=1S/C14H11ClN2O4S/c15-10-2-1-3-11(7-10)22(19,20)16-8-9-4-5-13-12(6-9)17-14(18)21-13/h1-7,16H,8H2,(H,17,18)
InChIKeyXYZCGPGUDDHSEG-UHFFFAOYSA-N
MW338.77 g/mol
LogP2.25
Rot. Bonds4

About 3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide

3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110786829) has the molecular formula C14H11ClN2O4S and a molecular weight of 338.77 g/mol. Its IUPAC name is 3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
PubChem CID110786829
Molecular FormulaC14H11ClN2O4S
Molecular Weight338.77 g/mol
Exact Mass338.01
IUPAC Name3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
SMILESO=c1[nH]c2cc(CNS(=O)(=O)c3cccc(Cl)c3)ccc2o1
InChIInChI=1S/C14H11ClN2O4S/c15-10-2-1-3-11(7-10)22(19,20)16-8-9-4-5-13-12(6-9)17-14(18)21-13/h1-7,16H,8H2,(H,17,18)
InChIKeyXYZCGPGUDDHSEG-UHFFFAOYSA-N
XLogP2.25
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110786815
4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786834
3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide
CID 169029479
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide
CID 110785208
N-[3-(3-chlorophenyl)propyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110661206
5-(hydrazinylmethyl)-3H-1,3-benzoxazol-2-one
CID 116932358
2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
CID 167864480
3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672345
2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110665410
N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide (CID 110786829) is 3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide is O=c1[nH]c2cc(CNS(=O)(=O)c3cccc(Cl)c3)ccc2o1.
What is the InChIKey of 3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is XYZCGPGUDDHSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S/c15-10-2-1-3-11(7-10)22(19,20)16-8-9-4-5-13-12(6-9)17-14(18)21-13/h1-7,16H,8H2,(H,17,18).
What are the key properties of 3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide?
3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 338.77 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110786829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).