N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride

C13H20ClN3O3S — CID 120721010

IUPACN-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCNC(=O)c1ccc(S(=O)(=O)NCC2CCNC2)cc1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-14-13(17)11-2-4-12(5-3-11)20(18,19)16-9-10-6-7-15-8-10;/h2-5,10,15-16H,6-9H2,1H3,(H,14,17);1H
InChIKeyATJNYWXTRYWVHC-UHFFFAOYSA-N
MW333.84 g/mol
LogP0.36
Rot. Bonds5

About N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride

N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 120721010) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID120721010
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC NameN-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCNC(=O)c1ccc(S(=O)(=O)NCC2CCNC2)cc1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-14-13(17)11-2-4-12(5-3-11)20(18,19)16-9-10-6-7-15-8-10;/h2-5,10,15-16H,6-9H2,1H3,(H,14,17);1H
InChIKeyATJNYWXTRYWVHC-UHFFFAOYSA-N
XLogP0.36
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 79685787
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564844
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563620
2-fluoro-5-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80562570
4-(2-methoxyethoxy)-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968401
2-methoxy-5-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721043
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534198
3-cyano-4-fluoro-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720970

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride (CID 120721010) is N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride is CNC(=O)c1ccc(S(=O)(=O)NCC2CCNC2)cc1.Cl.
What is the InChIKey of N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is ATJNYWXTRYWVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S.ClH/c1-14-13(17)11-2-4-12(5-3-11)20(18,19)16-9-10-6-7-15-8-10;/h2-5,10,15-16H,6-9H2,1H3,(H,14,17);1H.
What are the key properties of N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride?
N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 333.84 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 120721010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).