N-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide

C17H17F2N3O3S — CID 6460114

IUPACN-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1)N1CCCC1
InChIInChI=1S/C17H17F2N3O3S/c18-14-4-3-5-15(19)16(14)21-26(24,25)13-8-6-12(7-9-13)20-17(23)22-10-1-2-11-22/h3-9,21H,1-2,10-11H2,(H,20,23)
InChIKeyODHFAXVDIHZQNX-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.39
Rot. Bonds4

About N-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide

N-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 6460114) has the molecular formula C17H17F2N3O3S and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID6460114
Molecular FormulaC17H17F2N3O3S
Molecular Weight381.40 g/mol
Exact Mass381.10
IUPAC NameN-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1)N1CCCC1
InChIInChI=1S/C17H17F2N3O3S/c18-14-4-3-5-15(19)16(14)21-26(24,25)13-8-6-12(7-9-13)20-17(23)22-10-1-2-11-22/h3-9,21H,1-2,10-11H2,(H,20,23)
InChIKeyODHFAXVDIHZQNX-UHFFFAOYSA-N
XLogP3.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Slc-0111
CID 310360
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4-[(Cyclopentylcarbamoyl)amino]benzenesulfonamide
CID 27870443
1-(4-Aminophenyl)-3-(4-sulfamoylphenyl)urea
CID 43468983
1-(2,6-Difluorophenyl)-3-(4-sulfamoylphenyl)urea
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CID 124174639
4-{[(Cyclohexylamino)carbonyl]amino}benzenesulfonamide
CID 1226644
3-Methyl-1-(4-sulfamoylphenyl)urea
CID 280908
4-[({2-[(Phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide
CID 155289400
4-{[(2-{[(4-Fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
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1-[2-[4-(4-Fluorophenyl)piperazin-1-yl]ethyl]-3-(4-sulfamoylphenyl)urea
CID 137640310

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide (CID 6460114) is N-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1)N1CCCC1.
What is the InChIKey of N-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is ODHFAXVDIHZQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3S/c18-14-4-3-5-15(19)16(14)21-26(24,25)13-8-6-12(7-9-13)20-17(23)22-10-1-2-11-22/h3-9,21H,1-2,10-11H2,(H,20,23).
What are the key properties of N-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide?
N-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-difluorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 6460114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).