(3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide

C14H20ClN3O3S — CID 164637736

IUPAC(3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESC[C@H]1CN(C(=O)NCc2cccc(Cl)c2)C[C@@H]1CS(N)(=O)=O
InChIInChI=1S/C14H20ClN3O3S/c1-10-7-18(8-12(10)9-22(16,20)21)14(19)17-6-11-3-2-4-13(15)5-11/h2-5,10,12H,6-9H2,1H3,(H,17,19)(H2,16,20,21)/t10-,12+/m0/s1
InChIKeyCNPNIWBRHCRICB-CMPLNLGQSA-N
MW345.85 g/mol
LogP1.41
Rot. Bonds4

About (3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide

(3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide (PubChem CID 164637736) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is (3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide
PubChem CID164637736
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC Name(3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide
SMILESC[C@H]1CN(C(=O)NCc2cccc(Cl)c2)C[C@@H]1CS(N)(=O)=O
InChIInChI=1S/C14H20ClN3O3S/c1-10-7-18(8-12(10)9-22(16,20)21)14(19)17-6-11-3-2-4-13(15)5-11/h2-5,10,12H,6-9H2,1H3,(H,17,19)(H2,16,20,21)/t10-,12+/m0/s1
InChIKeyCNPNIWBRHCRICB-CMPLNLGQSA-N
XLogP1.41
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-Chlorophenyl)ethyl]-3-[3-[methyl(methylsulfonyl)amino]propyl]urea
CID 51081782
(3aR,8aR)-2-[(3-chlorophenyl)methyl]-1,1-dioxo-N-propan-2-yl-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine-6-carboxamide
CID 97440955
(3aR,8aR)-2-[(3-chlorophenyl)methyl]-N-methyl-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine-6-carboxamide
CID 97523648
N-(4-chlorobenzyl)-4-(methylsulfonyl)piperidine-1-carboxamide
CID 71805739
N-(4-chlorobenzyl)-3-(isobutylsulfonyl)azetidine-1-carboxamide
CID 73168158
N-(4-chlorobenzyl)-3-(methylthio)pyrrolidine-1-carboxamide
CID 76147528
N-{[1-(3-chloro-4-fluorobenzyl)pyrrolidin-3-yl]methyl}ethanesulfonamide
CID 56751589
3-[1-(3-Chlorophenyl)propyl]-1-methyl-1-(1-methylsulfonylpropan-2-yl)urea
CID 72018006
N-[1-(3-chlorophenyl)propyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 72129324
N-[(3-chloro-2-fluorophenyl)methyl]-2-(methylsulfamoyl)acetamide
CID 86778660
(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
CID 97155308
(3S)-1-[(4-chloro-2-methylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
CID 99855669

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide (CID 164637736) is (3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide is C[C@H]1CN(C(=O)NCc2cccc(Cl)c2)C[C@@H]1CS(N)(=O)=O.
What is the InChIKey of (3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is CNPNIWBRHCRICB-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H20ClN3O3S/c1-10-7-18(8-12(10)9-22(16,20)21)14(19)17-6-11-3-2-4-13(15)5-11/h2-5,10,12H,6-9H2,1H3,(H,17,19)(H2,16,20,21)/t10-,12+/m0/s1.
What are the key properties of (3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide?
(3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 345.85 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-[(3-chlorophenyl)methyl]-3-methyl-4-(sulfamoylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164637736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).