4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide

C14H22N4O5S2 — CID 108568463

IUPAC4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C14H22N4O5S2/c1-16(2)25(22,23)18-10-8-17(9-11-18)14(19)12-4-6-13(7-5-12)15-24(3,20)21/h4-7,15H,8-11H2,1-3H3
InChIKeySNXSGUFUSACILL-UHFFFAOYSA-N
MW390.49 g/mol
LogP-0.38
Rot. Bonds5

About 4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 108568463) has the molecular formula C14H22N4O5S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID108568463
Molecular FormulaC14H22N4O5S2
Molecular Weight390.49 g/mol
Exact Mass390.10
IUPAC Name4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C14H22N4O5S2/c1-16(2)25(22,23)18-10-8-17(9-11-18)14(19)12-4-6-13(7-5-12)15-24(3,20)21/h4-7,15H,8-11H2,1-3H3
InChIKeySNXSGUFUSACILL-UHFFFAOYSA-N
XLogP-0.38
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide
CID 7029961
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301
N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide
CID 32501840
N-[4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 42087714
N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535322
N-[4-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 32641762
N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 60956881
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2972888
prop-2-enyl 4-[4-(methanesulfonamido)benzoyl]piperazine-1-carboxylate
CID 108568479
4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 108570154
N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide
CID 32503634
N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-sulfonamide
CID 110810347

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 108568463) is 4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is SNXSGUFUSACILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O5S2/c1-16(2)25(22,23)18-10-8-17(9-11-18)14(19)12-4-6-13(7-5-12)15-24(3,20)21/h4-7,15H,8-11H2,1-3H3.
What are the key properties of 4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 390.49 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 108568463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).