N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide

C24H29FN2O4S2 — CID 3318997

IUPACN-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C24H29FN2O4S2/c25-18-7-9-20(10-8-18)32-23-12-11-21(33(29,30)27-13-15-31-16-14-27)17-22(23)24(28)26-19-5-3-1-2-4-6-19/h7-12,17,19H,1-6,13-16H2,(H,26,28)
InChIKeyRLAQIRCLJOWTFV-UHFFFAOYSA-N
MW492.64 g/mol
LogP4.45
Rot. Bonds6

About N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide

N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 3318997) has the molecular formula C24H29FN2O4S2 and a molecular weight of 492.64 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID3318997
Molecular FormulaC24H29FN2O4S2
Molecular Weight492.64 g/mol
Exact Mass492.16
IUPAC NameN-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C24H29FN2O4S2/c25-18-7-9-20(10-8-18)32-23-12-11-21(33(29,30)27-13-15-31-16-14-27)17-22(23)24(28)26-19-5-3-1-2-4-6-19/h7-12,17,19H,1-6,13-16H2,(H,26,28)
InChIKeyRLAQIRCLJOWTFV-UHFFFAOYSA-N
XLogP4.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide
CID 6617043
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 27261803
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
4-[4-(4-fluorophenyl)sulfanyl-3-nitrophenyl]sulfonylmorpholine
CID 4814430
N-cycloheptyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503522
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
N-cyclohexyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18108637
N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18107883
2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2715702

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide (CID 3318997) is N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide is O=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccc(F)cc1.
What is the InChIKey of N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RLAQIRCLJOWTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4S2/c25-18-7-9-20(10-8-18)32-23-12-11-21(33(29,30)27-13-15-31-16-14-27)17-22(23)24(28)26-19-5-3-1-2-4-6-19/h7-12,17,19H,1-6,13-16H2,(H,26,28).
What are the key properties of N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide?
N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 492.64 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3318997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).