N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide

C19H21ClF3N3O4S — CID 20945528

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1C
InChIInChI=1S/C19H21ClF3N3O4S/c1-11-16(18(27)26-6-8-30-9-7-26)17(12(2)25(11)3)31(28,29)24-13-4-5-15(20)14(10-13)19(21,22)23/h4-5,10,24H,6-9H2,1-3H3
InChIKeyDESFFFCHBDFAPC-UHFFFAOYSA-N
MW479.91 g/mol
LogP3.59
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide (PubChem CID 20945528) has the molecular formula C19H21ClF3N3O4S and a molecular weight of 479.91 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
PubChem CID20945528
Molecular FormulaC19H21ClF3N3O4S
Molecular Weight479.91 g/mol
Exact Mass479.09
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1C
InChIInChI=1S/C19H21ClF3N3O4S/c1-11-16(18(27)26-6-8-30-9-7-26)17(12(2)25(11)3)31(28,29)24-13-4-5-15(20)14(10-13)19(21,22)23/h4-5,10,24H,6-9H2,1-3H3
InChIKeyDESFFFCHBDFAPC-UHFFFAOYSA-N
XLogP3.59
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.91
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
CID 20945533
N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
CID 20945545
N-(1,3-benzodioxol-5-yl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945470
1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]pyrrole-3-sulfonamide
CID 20945277
4-(azepane-1-carbonyl)-N-(4-bromo-3-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 20945681
N-[4-[[1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]phenyl]acetamide
CID 46339462
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide
CID 108509700
4-(azepane-1-carbonyl)-N-(3,4-dimethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 20945618
N-[4-[[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]phenyl]acetamide
CID 46339466
[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153498
4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258307
methyl 4-[[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoate
CID 20945506

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide (CID 20945528) is N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide is Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1C.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is DESFFFCHBDFAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N3O4S/c1-11-16(18(27)26-6-8-30-9-7-26)17(12(2)25(11)3)31(28,29)24-13-4-5-15(20)14(10-13)19(21,22)23/h4-5,10,24H,6-9H2,1-3H3.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 479.91 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 20945528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).