N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide

C17H21N3O4S — CID 99931121

IUPACN,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide
SMILESC[C@@H](CNS(=O)(=O)c1cccc(C(=O)N(C)C)c1)Oc1cccnc1
InChIInChI=1S/C17H21N3O4S/c1-13(24-15-7-5-9-18-12-15)11-19-25(22,23)16-8-4-6-14(10-16)17(21)20(2)3/h4-10,12-13,19H,11H2,1-3H3/t13-/m0/s1
InChIKeyANYKSLHIMBGSRT-ZDUSSCGKSA-N
MW363.44 g/mol
LogP1.53
Rot. Bonds7

About N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide

N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide (PubChem CID 99931121) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide
PubChem CID99931121
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide
SMILESC[C@@H](CNS(=O)(=O)c1cccc(C(=O)N(C)C)c1)Oc1cccnc1
InChIInChI=1S/C17H21N3O4S/c1-13(24-15-7-5-9-18-12-15)11-19-25(22,23)16-8-4-6-14(10-16)17(21)20(2)3/h4-10,12-13,19H,11H2,1-3H3/t13-/m0/s1
InChIKeyANYKSLHIMBGSRT-ZDUSSCGKSA-N
XLogP1.53
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55818997
N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95130947
N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide
CID 77082477
N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide
CID 166209354
N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide
CID 77081152
(2S)-N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine
CID 95399042
N-(benzylsulfamoyl)-2-pyridin-3-yloxypropan-1-amine
CID 56861099
N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide
CID 77089087
N-ethyl-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064866
3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide
CID 50914019
3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65034105
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide (CID 99931121) is N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide is C[C@@H](CNS(=O)(=O)c1cccc(C(=O)N(C)C)c1)Oc1cccnc1.
What is the InChIKey of N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide?
The InChIKey is ANYKSLHIMBGSRT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-13(24-15-7-5-9-18-12-15)11-19-25(22,23)16-8-4-6-14(10-16)17(21)20(2)3/h4-10,12-13,19H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide?
N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide has a molecular weight of 363.44 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide is sourced from PubChem (CID 99931121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).