N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide

C18H21N3O3S — CID 1252563

IUPACN-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H21N3O3S/c1-25(23,24)19-16-9-7-15(8-10-16)18(22)21-13-11-20(12-14-21)17-5-3-2-4-6-17/h2-10,19H,11-14H2,1H3
InChIKeyRXTBNNKAHBNJIT-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.02
Rot. Bonds4

About N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide

N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 1252563) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID1252563
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H21N3O3S/c1-25(23,24)19-16-9-7-15(8-10-16)18(22)21-13-11-20(12-14-21)17-5-3-2-4-6-17/h2-10,19H,11-14H2,1H3
InChIKeyRXTBNNKAHBNJIT-UHFFFAOYSA-N
XLogP2.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9951665
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide (CID 1252563) is N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is RXTBNNKAHBNJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-25(23,24)19-16-9-7-15(8-10-16)18(22)21-13-11-20(12-14-21)17-5-3-2-4-6-17/h2-10,19H,11-14H2,1H3.
What are the key properties of N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 1252563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).