N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide

C14H21N5O4S3 — CID 122161874

IUPACN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C14H21N5O4S3/c1-18(2)26(22,23)19-8-6-11(7-9-19)10-15-25(20,21)13-5-3-4-12-14(13)17-24-16-12/h3-5,11,15H,6-10H2,1-2H3
InChIKeyKXZWWKIYCPOIPQ-UHFFFAOYSA-N
MW419.55 g/mol
LogP0.49
Rot. Bonds6

About N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide

N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 122161874) has the molecular formula C14H21N5O4S3 and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID122161874
Molecular FormulaC14H21N5O4S3
Molecular Weight419.55 g/mol
Exact Mass419.08
IUPAC NameN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C14H21N5O4S3/c1-18(2)26(22,23)19-8-6-11(7-9-19)10-15-25(20,21)13-5-3-4-12-14(13)17-24-16-12/h3-5,11,15H,6-10H2,1-2H3
InChIKeyKXZWWKIYCPOIPQ-UHFFFAOYSA-N
XLogP0.49
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63263791
N-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737430
N-(pyrrolidin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 62542530
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 20862311
N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 2906606
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300390
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 34143143
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 20862326
4-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 121197780
4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161855
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-(2,5-dimethylphenyl)cyclohexane-1-carboxamide
CID 20862360

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 122161874) is N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide is CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1.
What is the InChIKey of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is KXZWWKIYCPOIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S3/c1-18(2)26(22,23)19-8-6-11(7-9-19)10-15-25(20,21)13-5-3-4-12-14(13)17-24-16-12/h3-5,11,15H,6-10H2,1-2H3.
What are the key properties of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 419.55 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 122161874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).