N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide

C16H21N5O3S — CID 70760127

IUPACN-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
SMILESCn1cc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H]3CCNC3)cc2)cn1
InChIInChI=1S/C16H21N5O3S/c1-21-11-12(9-19-21)8-18-16(22)13-2-4-15(5-3-13)25(23,24)20-14-6-7-17-10-14/h2-5,9,11,14,17,20H,6-8,10H2,1H3,(H,18,22)/t14-/m1/s1
InChIKeyIFCCVIWMZSUIOH-CQSZACIVSA-N
MW363.44 g/mol
LogP-0.01
Rot. Bonds6

About N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide

N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide (PubChem CID 70760127) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
PubChem CID70760127
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
SMILESCn1cc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H]3CCNC3)cc2)cn1
InChIInChI=1S/C16H21N5O3S/c1-21-11-12(9-19-21)8-18-16(22)13-2-4-15(5-3-13)25(23,24)20-14-6-7-17-10-14/h2-5,9,11,14,17,20H,6-8,10H2,1H3,(H,18,22)/t14-/m1/s1
InChIKeyIFCCVIWMZSUIOH-CQSZACIVSA-N
XLogP-0.01
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 138756828
CID 138756828
CID 894979
CID 894979
CID 155554240
CID 155554240
CID 7638262
CID 7638262
CID 56836105
CID 56836105
CID 122590787
CID 122590787
CID 92558146
CID 92558146
CID 155542117
CID 155542117
CID 27304169
CID 27304169
CID 37393122
CID 37393122
CID 45818444
CID 45818444
CID 47026934
CID 47026934

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide (CID 70760127) is N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide is Cn1cc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H]3CCNC3)cc2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide?
The InChIKey is IFCCVIWMZSUIOH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-21-11-12(9-19-21)8-18-16(22)13-2-4-15(5-3-13)25(23,24)20-14-6-7-17-10-14/h2-5,9,11,14,17,20H,6-8,10H2,1H3,(H,18,22)/t14-/m1/s1.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide?
N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide has a molecular weight of 363.44 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 70760127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).