4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide

C13H22N4O4S2 — CID 122571957

IUPAC4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC2CCNCC2)cc1
InChIInChI=1S/C13H22N4O4S2/c1-17(2)23(20,21)16-11-3-5-13(6-4-11)22(18,19)15-12-7-9-14-10-8-12/h3-6,12,14-16H,7-10H2,1-2H3
InChIKeyYENQHWFGFJQBSR-UHFFFAOYSA-N
MW362.48 g/mol
LogP-0.06
Rot. Bonds6

About 4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide

4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 122571957) has the molecular formula C13H22N4O4S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide
PubChem CID122571957
Molecular FormulaC13H22N4O4S2
Molecular Weight362.48 g/mol
Exact Mass362.11
IUPAC Name4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC2CCNCC2)cc1
InChIInChI=1S/C13H22N4O4S2/c1-17(2)23(20,21)16-11-3-5-13(6-4-11)22(18,19)15-12-7-9-14-10-8-12/h3-6,12,14-16H,7-10H2,1-2H3
InChIKeyYENQHWFGFJQBSR-UHFFFAOYSA-N
XLogP-0.06
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120874458
N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
3-[4-(piperidin-4-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 76899841
4-cyclohexyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960370
4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960520
4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide
CID 119960714
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 28811020
N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 131870721

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide (CID 122571957) is 4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide is CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NC2CCNCC2)cc1.
What is the InChIKey of 4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is YENQHWFGFJQBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S2/c1-17(2)23(20,21)16-11-3-5-13(6-4-11)22(18,19)15-12-7-9-14-10-8-12/h3-6,12,14-16H,7-10H2,1-2H3.
What are the key properties of 4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide?
4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 362.48 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 122571957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).