10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole

C24H21N5O2S — CID 57408298

IUPAC10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole
SMILES[N-]=[N+]=NCCCCn1c2ccccc2c2ccc3ccn(S(=O)(=O)c4ccccc4)c3c21
InChIInChI=1S/C24H21N5O2S/c25-27-26-15-6-7-16-28-22-11-5-4-10-20(22)21-13-12-18-14-17-29(23(18)24(21)28)32(30,31)19-8-2-1-3-9-19/h1-5,8-14,17H,6-7,15-16H2
InChIKeyKJYVHZNHGZRIQG-UHFFFAOYSA-N
MW443.53 g/mol
LogP6.08
Rot. Bonds7

About 10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole

10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole (PubChem CID 57408298) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is 10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole
PubChem CID57408298
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC Name10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole
SMILES[N-]=[N+]=NCCCCn1c2ccccc2c2ccc3ccn(S(=O)(=O)c4ccccc4)c3c21
InChIInChI=1S/C24H21N5O2S/c25-27-26-15-6-7-16-28-22-11-5-4-10-20(22)21-13-12-18-14-17-29(23(18)24(21)28)32(30,31)19-8-2-1-3-9-19/h1-5,8-14,17H,6-7,15-16H2
InChIKeyKJYVHZNHGZRIQG-UHFFFAOYSA-N
XLogP6.08
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-7-bromoindole
CID 46738223
1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine
CID 164886533
3-[1-(benzenesulfonyl)indol-7-yl]oxypropan-1-amine
CID 69368603
1-(benzenesulfonyl)-6-chloro-7-(difluoromethoxy)indole
CID 142393270
4-carbazol-9-ylbutane-1-sulfonic acid
CID 87202884
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline
CID 15474221
N-(4-azidobutyl)-1-methylindazole-3-carboxamide
CID 106386463
3-[2-[(2R,3R,4S,5S,6S)-6-(5-azidopentoxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl]-1-(benzenesulfonyl)indole
CID 10819261
1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374
9-(4-pyrrol-1-ylbutyl)carbazole
CID 14745805
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338

Frequently Asked Questions

What is the IUPAC name of 10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole?
The IUPAC name of 10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole (CID 57408298) is 10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole?
The canonical SMILES for 10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole is [N-]=[N+]=NCCCCn1c2ccccc2c2ccc3ccn(S(=O)(=O)c4ccccc4)c3c21.
What is the InChIKey of 10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole?
The InChIKey is KJYVHZNHGZRIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c25-27-26-15-6-7-16-28-22-11-5-4-10-20(22)21-13-12-18-14-17-29(23(18)24(21)28)32(30,31)19-8-2-1-3-9-19/h1-5,8-14,17H,6-7,15-16H2.
What are the key properties of 10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole?
10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole has a molecular weight of 443.53 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-azidobutyl)-1-(benzenesulfonyl)pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 57408298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).