4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide

C24H35N5O3S — CID 139391293

IUPAC4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1
InChIInChI=1S/C24H35N5O3S/c30-33(31,27-12-13-29-14-16-32-17-15-29)22-6-7-23(28-21-4-2-1-3-5-21)24(18-22)26-19-20-8-10-25-11-9-20/h6-11,18,21,26-28H,1-5,12-17,19H2
InChIKeyJRZYQUNNCTUFLB-UHFFFAOYSA-N
MW473.64 g/mol
LogP3.05
Rot. Bonds10

About 4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide

4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide (PubChem CID 139391293) has the molecular formula C24H35N5O3S and a molecular weight of 473.64 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide
PubChem CID139391293
Molecular FormulaC24H35N5O3S
Molecular Weight473.64 g/mol
Exact Mass473.25
IUPAC Name4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1
InChIInChI=1S/C24H35N5O3S/c30-33(31,27-12-13-29-14-16-32-17-15-29)22-6-7-23(28-21-4-2-1-3-5-21)24(18-22)26-19-20-8-10-25-11-9-20/h6-11,18,21,26-28H,1-5,12-17,19H2
InChIKeyJRZYQUNNCTUFLB-UHFFFAOYSA-N
XLogP3.05
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(cyclopropylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 121334948
4-(cyclohexylamino)-N-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 121334951
4-(cyclopentylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 121334959
4-(cyclooctylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 121334968
4-(2-adamantylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 121334981
N-tert-butyl-4-(cyclohexylamino)-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 121334993
4-(cyclohexylamino)-N-ethyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 121334994
4-(cyclohexylamino)-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 139392929
4-(cyclohexylamino)-N-[2-(methylamino)ethyl]-3-(pyridin-4-ylmethylamino)benzenesulfonamide;hydrochloride
CID 145952551
4-(cyclohexylamino)-N-(2-piperazin-1-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide;hydrochloride
CID 145956139
N-(2-aminoethyl)-4-(cyclohexylamino)-3-(pyridin-4-ylmethylamino)benzenesulfonamide;hydrochloride
CID 145972456
Piperazine moiety, 3
CID 57339811

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide (CID 139391293) is 4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1ccc(NC2CCCCC2)c(NCc2ccncc2)c1.
What is the InChIKey of 4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The InChIKey is JRZYQUNNCTUFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3S/c30-33(31,27-12-13-29-14-16-32-17-15-29)22-6-7-23(28-21-4-2-1-3-5-21)24(18-22)26-19-20-8-10-25-11-9-20/h6-11,18,21,26-28H,1-5,12-17,19H2.
What are the key properties of 4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide has a molecular weight of 473.64 g/mol, XLogP of 3.05, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 139391293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).