N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide

C19H15N5O5S2 — CID 55821823

IUPACN-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)n2)cc1
InChIInChI=1S/C19H15N5O5S2/c1-31(28,29)23-13-7-5-11(6-8-13)15-10-30-19(21-15)22-18(25)14-9-12-3-2-4-16(24(26)27)17(12)20-14/h2-10,20,23H,1H3,(H,21,22,25)
InChIKeyPRJJLFYDAOWWFI-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.82
Rot. Bonds6

About N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide

N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide (PubChem CID 55821823) has the molecular formula C19H15N5O5S2 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide
PubChem CID55821823
Molecular FormulaC19H15N5O5S2
Molecular Weight457.49 g/mol
Exact Mass457.05
IUPAC NameN-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)n2)cc1
InChIInChI=1S/C19H15N5O5S2/c1-31(28,29)23-13-7-5-11(6-8-13)15-10-30-19(21-15)22-18(25)14-9-12-3-2-4-16(24(26)27)17(12)20-14/h2-10,20,23H,1H3,(H,21,22,25)
InChIKeyPRJJLFYDAOWWFI-UHFFFAOYSA-N
XLogP3.82
TPSA147.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 24568455
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 51112118
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120552976
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 24568361
N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 60528746
1-N,3-N-bis[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3602567
4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041748
1-ethyl-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24568371
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469
N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46573515
7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 24568289

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide (CID 55821823) is N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide is CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)n2)cc1.
What is the InChIKey of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide?
The InChIKey is PRJJLFYDAOWWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O5S2/c1-31(28,29)23-13-7-5-11(6-8-13)15-10-30-19(21-15)22-18(25)14-9-12-3-2-4-16(24(26)27)17(12)20-14/h2-10,20,23H,1H3,(H,21,22,25).
What are the key properties of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide?
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide is sourced from PubChem (CID 55821823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).