3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide

C17H19N5O4S — CID 95789726

IUPAC3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide
SMILESCOC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C17H19N5O4S/c1-11(10-26-2)18-17(23)12-4-3-5-13(8-12)21-27(24,25)14-6-7-15-16(9-14)20-22-19-15/h3-9,11,21H,10H2,1-2H3,(H,18,23)(H,19,20,22)/t11-/m0/s1
InChIKeyJNFKPQQHPHMDIQ-NSHDSACASA-N
MW389.44 g/mol
LogP1.52
Rot. Bonds7

About 3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide

3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide (PubChem CID 95789726) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide.

Molecular Properties

Compound Name3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide
PubChem CID95789726
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide
SMILESCOC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C17H19N5O4S/c1-11(10-26-2)18-17(23)12-4-3-5-13(8-12)21-27(24,25)14-6-7-15-16(9-14)20-22-19-15/h3-9,11,21H,10H2,1-2H3,(H,18,23)(H,19,20,22)/t11-/m0/s1
InChIKeyJNFKPQQHPHMDIQ-NSHDSACASA-N
XLogP1.52
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 46663760
N-[(2R)-1-methoxypropan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26796911
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 18161222
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
4-(benzenesulfonamido)-N-(1-methoxypropan-2-yl)benzamide
CID 6459980
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 18161967
3-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 33102554
5-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 18170796
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991

Frequently Asked Questions

What is the IUPAC name of 3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide?
The IUPAC name of 3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide (CID 95789726) is 3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide.
What is the SMILES notation for 3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide?
The canonical SMILES for 3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide is COC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc3n[nH]nc3c2)c1.
What is the InChIKey of 3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide?
The InChIKey is JNFKPQQHPHMDIQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-11(10-26-2)18-17(23)12-4-3-5-13(8-12)21-27(24,25)14-6-7-15-16(9-14)20-22-19-15/h3-9,11,21H,10H2,1-2H3,(H,18,23)(H,19,20,22)/t11-/m0/s1.
What are the key properties of 3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide?
3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide has a molecular weight of 389.44 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-benzotriazol-5-ylsulfonylamino)-N-[(2S)-1-methoxypropan-2-yl]benzamide is sourced from PubChem (CID 95789726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).