N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide

C14H13N3O3S — CID 151173328

IUPACN-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1nc2cc(N)ccc2o1
InChIInChI=1S/C14H13N3O3S/c1-21(18,19)17-11-5-3-2-4-10(11)14-16-12-8-9(15)6-7-13(12)20-14/h2-8,17H,15H2,1H3
InChIKeyNCSZSWZZHMQZQX-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.45
Rot. Bonds3

About N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide

N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide (PubChem CID 151173328) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide
PubChem CID151173328
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1nc2cc(N)ccc2o1
InChIInChI=1S/C14H13N3O3S/c1-21(18,19)17-11-5-3-2-4-10(11)14-16-12-8-9(15)6-7-13(12)20-14/h2-8,17H,15H2,1H3
InChIKeyNCSZSWZZHMQZQX-UHFFFAOYSA-N
XLogP2.45
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 155526717
4-chloro-3-(5-methylsulfonyl-1,3-benzoxazol-2-yl)aniline
CID 81421707
N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide
CID 79885842
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol
CID 136802404
2-(2-methylphenyl)-1,3-benzoxazol-6-amine
CID 6457922
(2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide
CID 135030644
2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazol-5-amine
CID 100817982
N-[2-[5-(3-chloroquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
CID 58247228
2-(2,5-dibromothiophen-3-yl)-1,3-benzoxazol-5-amine
CID 114021263
2-(2-methylsulfonylethylsulfonyl)-1,3-benzoxazol-5-amine
CID 61369152
N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 4089024

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide (CID 151173328) is N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1nc2cc(N)ccc2o1.
What is the InChIKey of N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide?
The InChIKey is NCSZSWZZHMQZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-21(18,19)17-11-5-3-2-4-10(11)14-16-12-8-9(15)6-7-13(12)20-14/h2-8,17H,15H2,1H3.
What are the key properties of N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide?
N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 151173328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).