N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide

C10H12N2O3S — CID 175392982

IUPACN-(1,2-benzoxazol-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1noc2ccccc12
InChIInChI=1S/C10H12N2O3S/c1-2-7-16(13,14)12-10-8-5-3-4-6-9(8)15-11-10/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyIXXHQYLDWGBRCT-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.98
Rot. Bonds4

About N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide

N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide (PubChem CID 175392982) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)propane-1-sulfonamide
PubChem CID175392982
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-(1,2-benzoxazol-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1noc2ccccc12
InChIInChI=1S/C10H12N2O3S/c1-2-7-16(13,14)12-10-8-5-3-4-6-9(8)15-11-10/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyIXXHQYLDWGBRCT-UHFFFAOYSA-N
XLogP1.98
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-butylmethanesulfonamide
CID 90624393
2-(1,2-benzoxazol-3-ylamino)-2-methylpentanoic acid
CID 114265510
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
4-(1,2-benzoxazol-3-ylamino)butanal
CID 18378943
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
N-(1-chloropropan-2-yl)-1,2-benzoxazol-3-amine
CID 130501912
1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
CID 90624669
2-(1,2-benzoxazol-3-ylamino)propanoic acid
CID 69119449
ethyl 2-(1,2-benzoxazol-3-ylcarbamothioylamino)propanoate
CID 15983624
1-(1,2-benzoxazol-3-yl)-N-(2-ethoxypyrimidin-5-yl)methanesulfonamide
CID 122302144
1-(1,2-benzoxazol-3-yl)propane-1-sulfonic acid
CID 167261210
ethane;3-methyl-1,2-benzoxazole;propane
CID 143892351

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide (CID 175392982) is N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1noc2ccccc12.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide?
The InChIKey is IXXHQYLDWGBRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-2-7-16(13,14)12-10-8-5-3-4-6-9(8)15-11-10/h3-6H,2,7H2,1H3,(H,11,12).
What are the key properties of N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide?
N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide has a molecular weight of 240.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 175392982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).