4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide

C17H26N2O4S2 — CID 1448139

IUPAC4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C17H26N2O4S2/c1-19(15-5-3-2-4-6-15)25(22,23)17-11-9-16(10-12-17)24(20,21)18-13-14-7-8-14/h9-12,14-15,18H,2-8,13H2,1H3
InChIKeyROHAGXLYNFUBKG-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.33
Rot. Bonds7

About 4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide

4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide (PubChem CID 1448139) has the molecular formula C17H26N2O4S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
PubChem CID1448139
Molecular FormulaC17H26N2O4S2
Molecular Weight386.54 g/mol
Exact Mass386.13
IUPAC Name4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C17H26N2O4S2/c1-19(15-5-3-2-4-6-15)25(22,23)17-11-9-16(10-12-17)24(20,21)18-13-14-7-8-14/h9-12,14-15,18H,2-8,13H2,1H3
InChIKeyROHAGXLYNFUBKG-UHFFFAOYSA-N
XLogP2.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
CID 43298854
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
N-cyclopentyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60823251
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
N-cyclohexyl-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 46596766
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 6733441

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide (CID 1448139) is 4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC2CC2)cc1.
What is the InChIKey of 4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide?
The InChIKey is ROHAGXLYNFUBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S2/c1-19(15-5-3-2-4-6-15)25(22,23)17-11-9-16(10-12-17)24(20,21)18-13-14-7-8-14/h9-12,14-15,18H,2-8,13H2,1H3.
What are the key properties of 4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide?
4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide has a molecular weight of 386.54 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide is sourced from PubChem (CID 1448139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).