N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide

C18H22ClN3O4S — CID 20945533

IUPACN-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n1C
InChIInChI=1S/C18H22ClN3O4S/c1-12-16(18(23)22-8-10-26-11-9-22)17(13(2)21(12)3)27(24,25)20-15-6-4-14(19)5-7-15/h4-7,20H,8-11H2,1-3H3
InChIKeyHZJYCRZUTJFQLC-UHFFFAOYSA-N
MW411.91 g/mol
LogP2.57
Rot. Bonds4

About N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide

N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide (PubChem CID 20945533) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
PubChem CID20945533
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC NameN-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n1C
InChIInChI=1S/C18H22ClN3O4S/c1-12-16(18(23)22-8-10-26-11-9-22)17(13(2)21(12)3)27(24,25)20-15-6-4-14(19)5-7-15/h4-7,20H,8-11H2,1-3H3
InChIKeyHZJYCRZUTJFQLC-UHFFFAOYSA-N
XLogP2.57
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
CID 20945545
N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
CID 20945528
N-[4-[[1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]phenyl]acetamide
CID 46339462
N-[4-[[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]phenyl]acetamide
CID 46339466
methyl 4-[[1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoate
CID 20945506
N-(1,3-benzodioxol-5-yl)-1,2,5-trimethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945470
4-(azepane-1-carbonyl)-N-(4-bromo-3-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 20945681
N-(5-chloro-2-methoxyphenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945354
4-(azepane-1-carbonyl)-N-(3,4-dimethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 20945618
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
N-(2,5-difluorophenyl)-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945274
4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-(3-methylsulfanylphenyl)pyrrole-3-sulfonamide
CID 20945679

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide (CID 20945533) is N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide is Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n1C.
What is the InChIKey of N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is HZJYCRZUTJFQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4S/c1-12-16(18(23)22-8-10-26-11-9-22)17(13(2)21(12)3)27(24,25)20-15-6-4-14(19)5-7-15/h4-7,20H,8-11H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide?
N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 411.91 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1,2,5-trimethyl-4-(morpholine-4-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 20945533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).