N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide

C12H17N3O3S — CID 79685787

IUPACN-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1
InChIInChI=1S/C12H17N3O3S/c1-13-12(16)9-2-4-11(5-3-9)19(17,18)15-10-6-7-14-8-10/h2-5,10,14-15H,6-8H2,1H3,(H,13,16)/t10-/m1/s1
InChIKeyLALNWOBZKGSCOC-SNVBAGLBSA-N
MW283.35 g/mol
LogP-0.31
Rot. Bonds4

About N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide

N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide (PubChem CID 79685787) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
PubChem CID79685787
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1
InChIInChI=1S/C12H17N3O3S/c1-13-12(16)9-2-4-11(5-3-9)19(17,18)15-10-6-7-14-8-10/h2-5,10,14-15H,6-8H2,1H3,(H,13,16)/t10-/m1/s1
InChIKeyLALNWOBZKGSCOC-SNVBAGLBSA-N
XLogP-0.31
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 62378636
N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride
CID 120707602
N-[2-(dimethylamino)ethyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 70720005
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
N-methyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79723972
N-methyl-4-(pyrrolidin-3-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120721010
4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride
CID 119970613
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119966761
N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide
CID 79685894
4-(morpholine-4-carbonyl)-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966760

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide (CID 79685787) is N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide is CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1.
What is the InChIKey of N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide?
The InChIKey is LALNWOBZKGSCOC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-13-12(16)9-2-4-11(5-3-9)19(17,18)15-10-6-7-14-8-10/h2-5,10,14-15H,6-8H2,1H3,(H,13,16)/t10-/m1/s1.
What are the key properties of N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide?
N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide has a molecular weight of 283.35 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 79685787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).