N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide

C22H26N4O2S — CID 19258608

IUPACN-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide
SMILESCc1ccc2c(Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc(C)nc2n1
InChIInChI=1S/C22H26N4O2S/c1-15-8-13-20-21(14-16(2)24-22(20)23-15)25-17-9-11-19(12-10-17)29(27,28)26-18-6-4-3-5-7-18/h8-14,18,26H,3-7H2,1-2H3,(H,23,24,25)
InChIKeyBXXPOEVQQFWBHF-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.60
Rot. Bonds5

About N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide

N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide (PubChem CID 19258608) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide
PubChem CID19258608
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide
SMILESCc1ccc2c(Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc(C)nc2n1
InChIInChI=1S/C22H26N4O2S/c1-15-8-13-20-21(14-16(2)24-22(20)23-15)25-17-9-11-19(12-10-17)29(27,28)26-18-6-4-3-5-7-18/h8-14,18,26H,3-7H2,1-2H3,(H,23,24,25)
InChIKeyBXXPOEVQQFWBHF-UHFFFAOYSA-N
XLogP4.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 169487812
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-cyclobutyl-4-(pyrimidin-2-ylamino)benzenesulfonamide
CID 142660407
N-[4-(cyclohexylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911307
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646
1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
CID 35506541
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide (CID 19258608) is N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide is Cc1ccc2c(Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc(C)nc2n1.
What is the InChIKey of N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide?
The InChIKey is BXXPOEVQQFWBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-15-8-13-20-21(14-16(2)24-22(20)23-15)25-17-9-11-19(12-10-17)29(27,28)26-18-6-4-3-5-7-18/h8-14,18,26H,3-7H2,1-2H3,(H,23,24,25).
What are the key properties of N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide?
N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 19258608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).