N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide

C16H19N3O4S — CID 34142457

IUPACN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccoc3)cc2)CC1
InChIInChI=1S/C16H19N3O4S/c1-18-7-9-19(10-8-18)24(21,22)15-4-2-14(3-5-15)17-16(20)13-6-11-23-12-13/h2-6,11-12H,7-10H2,1H3,(H,17,20)
InChIKeySTCPWAXRFHYPBM-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.47
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide

N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide (PubChem CID 34142457) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide
PubChem CID34142457
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccoc3)cc2)CC1
InChIInChI=1S/C16H19N3O4S/c1-18-7-9-19(10-8-18)24(21,22)15-4-2-14(3-5-15)17-16(20)13-6-11-23-12-13/h2-6,11-12H,7-10H2,1H3,(H,17,20)
InChIKeySTCPWAXRFHYPBM-UHFFFAOYSA-N
XLogP1.47
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 17015677
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 46647395
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]furan-3-carboxamide
CID 27018677
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-propan-2-ylbenzamide
CID 17177406
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
4-(chloromethyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 169172264
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-propan-2-yloxybenzamide
CID 4951892
methyl 3-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]benzoate
CID 17175247
3-fluoro-4-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 37007638
4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 99968279
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide (CID 34142457) is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccoc3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide?
The InChIKey is STCPWAXRFHYPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-18-7-9-19(10-8-18)24(21,22)15-4-2-14(3-5-15)17-16(20)13-6-11-23-12-13/h2-6,11-12H,7-10H2,1H3,(H,17,20).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide?
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]furan-3-carboxamide is sourced from PubChem (CID 34142457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).