N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide

C16H19N5O3S — CID 26121096

IUPACN-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide
SMILESCc1cc(C)nc(NNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1
InChIInChI=1S/C16H19N5O3S/c1-10-8-11(2)18-16(17-10)20-19-15(22)12-4-3-5-14(9-12)25(23,24)21-13-6-7-13/h3-5,8-9,13,21H,6-7H2,1-2H3,(H,19,22)(H,17,18,20)
InChIKeyDPEVJEWPBKPNRA-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.29
Rot. Bonds6

About N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide

N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide (PubChem CID 26121096) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide
PubChem CID26121096
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide
SMILESCc1cc(C)nc(NNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1
InChIInChI=1S/C16H19N5O3S/c1-10-8-11(2)18-16(17-10)20-19-15(22)12-4-3-5-14(9-12)25(23,24)21-13-6-7-13/h3-5,8-9,13,21H,6-7H2,1-2H3,(H,19,22)(H,17,18,20)
InChIKeyDPEVJEWPBKPNRA-UHFFFAOYSA-N
XLogP1.29
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041364
N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 27698212
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
3-(cyclopentylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041602
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
3-(cyclopropylsulfamoyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 86846328
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37040498
3-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
CID 55480080

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide (CID 26121096) is N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide is Cc1cc(C)nc(NNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1.
What is the InChIKey of N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is DPEVJEWPBKPNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-10-8-11(2)18-16(17-10)20-19-15(22)12-4-3-5-14(9-12)25(23,24)21-13-6-7-13/h3-5,8-9,13,21H,6-7H2,1-2H3,(H,19,22)(H,17,18,20).
What are the key properties of N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide?
N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 361.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 26121096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).